ChemSpider 2D Image | (2R,4R,5S,6R,8R,11S,12S,19R,20R)-11-Ethyl-4-methoxy-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.0~15,20~]icos-1(18)-en-5-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xy lo-hexopyranoside | C33H55N3O9

(2R,4R,5S,6R,8R,11S,12S,19R,20R)-11-Ethyl-4-methoxy-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xy lo-hexopyranoside

  • Molecular FormulaC33H55N3O9
  • Average mass637.805 Da
  • Monoisotopic mass637.393860 Da
  • ChemSpider ID13183541

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,4R,5S,6R,8R,11S,12S,19R,20R)-11-Ethyl-4-methoxy-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xy lo-hexopyranoside [ACD/IUPAC Name]
(2R,4R,5S,6R,8R,11S,12S,19R,20R)-11-Ethyl-4-methoxy-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-x ylo-hexopyranosid [German] [ACD/IUPAC Name]
14,1-(Nitriloethano)-2H-oxacyclotetradecino[4,3-d]oxazole-2,6,8(7H,9H)-trione, 4-ethyl-3a,4,10,11,12,13,15,15a-octahydro-11-methoxy-3a,7,9,11,13,15-hexamethyl-10-[[3,4,6-trideoxy-3-(dimethylamino)-bet a-D-xylo-hexopyranosyl]oxy]-, (3aS,4S,7R,9R,10S,11R,13R,15R,15aR)- [ACD/Index Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (2R,4R,5S,6R,8R,11S,12S,19R,20R)-11-éthyl-4-méthoxy-2,4,6,8,12,19-hexaméthyl-7,9,14-trioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,2 0]icos-1(18)-én-5-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 775.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 422.5±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 164.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 95.41
ACD/KOC (pH 7.4): 427.59
Polar Surface Area: 136 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 497.7±7.0 cm3

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